UCSF

ZINC35550242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 7.44 -16.79 2 6 0 67 435.568 9
Mid Mid (pH 6-8) 3.80 9.71 -49.92 3 6 1 68 436.576 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )